ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003368
RECORD_TITLE: MONOCRESYL DIPHENYL PHOSPHATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: MONOCRESYL DIPHENYL PHOSPHATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇O₄P
CH$EXACT_MASS: 340.08645
CH$SMILES: Cc(c3)ccc(c3)OP(=O)(Oc(c2)cccc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3
CH$LINK: INCHIKEY OJUZRFGUKHQNJX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70274039

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004l-3439000000-39b0fd3428db88443995
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  47 4.6 46
  50 4 40
  51 14 140
  52 3.5 35
  53 3.3 33
  62 4 40
  63 2 20
  65 2.42 24
  66 3 30
  76 2 20
  77 37.8 378
  78 0.97 10
  79 8.9 89
  89 3.8 38
  90 5.8 58
  91 1.76 18
  92 3 30
  93 3.5 35
  94 13.2 132
  103 0.3 3
  104 3.8 38
  105 3.5 35
  106 2 20
  107 1.2 12
  108 13.5 135
  109 2 20
  115 2.5 25
  121 0.33 3
  122 3 30
  139 2.5 25
  140 2.8 28
  141 0.3 3
  152 3 30
  153 2.8 28
  154 2.3 23
  155 0.2 2
  165 17.1 171
  166 8.6 86
  167 3.3 33
  168 0.51 5
  169 9.7 97
  170 13.2 132
  171 2 20
  178 0.25 3
  179 9.7 97
  180 6.9 69
  181 5.6 56
  182 0.4 4
  183 5.1 51
  184 9.4 94
  185 2 20
  193 0.25 3
  194 4.8 48
  195 8.4 84
  196 3.3 33
  197 0.2 2
  198 3.3 33
  209 2.3 23
  215 9.9 99
  216 0.2 2
  227 2.5 25
  228 7.4 74
  229 9.4 94
  230 0.23 2
  231 2.3 23
  232 6.9 69
  233 14.8 148
  234 0.25 3
  241 3 30
  242 3.8 38
  243 4 40
  244 0.2 2
  245 2.3 23
  246 6.9 69
  247 12.5 125
  248 0.28 3
  249 3 30
  260 2.5 25
  261 5.8 58
  262 0.23 2
  263 2.5 25
  275 2.5 25
  277 2 20
  291 0.25 3
  325 43.9 439
  326 66.4 664
  327 13.5 135
  328 0.2 2
  339 49.3 493
  340 99.99 999
  341 21.9 219
  342 2.5 25
//